Selecting atoms by autodetection

GSL offers macros that automatically detect and select common molecular components. These macros simplify selections without needing to specify detailed criteria.

Available macros:

  • @protein: Selects all amino acid atoms (supports ~140 different amino acids).
  • @water: Selects all water atoms.
  • @ion: Selects all ion atoms.
  • @membrane: Selects membrane lipid atoms (supports over 200 lipid types).
  • @dna: Selects all DNA molecule atoms.
  • @rna: Selects all RNA molecule atoms.

Example usage:

@protein or @membrane

Selects all protein and membrane lipid atoms.

Caution: While these macros are generally reliable, they may not always perfectly identify all relevant atoms. Use them judiciously, especially when working with custom molecules.